################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34112 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34112 1 2 '2D 1H-13C HSQC' . . . 34112 1 3 'HSQC IPAP' . . . 34112 1 4 CC_CO_NH . . . 34112 1 5 HCC_CO_NH . . . 34112 1 6 '3D CBCA(CO)NH' . . . 34112 1 7 '3D HNCACB' . . . 34112 1 8 '3D HN(CO)CA' . . . 34112 1 9 '3D HNCA' . . . 34112 1 10 '3D HN(CA)CO' . . . 34112 1 11 '3D HNCO' . . . 34112 1 12 '3D 1H-15N NOESY' . . . 34112 1 13 15N-TOCSY-HSQC . . . 34112 1 14 13C-TOCSY-HSQC . . . 34112 1 15 '3D HCCH-TOCSY' . . . 34112 1 16 '3D 1H-13C NOESY' . . . 34112 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR HA H 1 4.256 0.000 . . . . . A 40 THR HA . 34112 1 2 . 1 1 1 1 THR HG21 H 1 1.192 0.000 . . . . . A 40 THR HG1 . 34112 1 3 . 1 1 1 1 THR HG22 H 1 1.192 0.000 . . . . . A 40 THR HG1 . 34112 1 4 . 1 1 1 1 THR HG23 H 1 1.192 0.000 . . . . . A 40 THR HG1 . 34112 1 5 . 1 1 1 1 THR C C 13 174.350 0.000 . . . . . A 40 THR C . 34112 1 6 . 1 1 1 1 THR CA C 13 62.062 0.090 . . . . . A 40 THR CA . 34112 1 7 . 1 1 1 1 THR CB C 13 69.666 0.000 . . . . . A 40 THR CB . 34112 1 8 . 1 1 1 1 THR CG2 C 13 21.323 0.000 . . . . . A 40 THR CG2 . 34112 1 9 . 1 1 1 1 THR N N 15 116.074 0.017 . . . . . A 40 THR N . 34112 1 10 . 1 1 2 2 LYS H H 1 8.442 0.009 . . . . . A 41 LYS H . 34112 1 11 . 1 1 2 2 LYS HA H 1 4.277 0.000 . . . . . A 41 LYS HA . 34112 1 12 . 1 1 2 2 LYS HB2 H 1 1.751 0.000 . . . . . A 41 LYS HB2 . 34112 1 13 . 1 1 2 2 LYS HE2 H 1 2.975 0.000 . . . . . A 41 LYS HE2 . 34112 1 14 . 1 1 2 2 LYS CA C 13 56.353 0.000 . . . . . A 41 LYS CA . 34112 1 15 . 1 1 2 2 LYS N N 15 124.190 0.095 . . . . . A 41 LYS N . 34112 1 16 . 1 1 3 3 GLN C C 13 176.012 0.000 . . . . . A 42 GLN C . 34112 1 17 . 1 1 3 3 GLN CA C 13 55.795 0.000 . . . . . A 42 GLN CA . 34112 1 18 . 1 1 3 3 GLN CB C 13 29.216 0.000 . . . . . A 42 GLN CB . 34112 1 19 . 1 1 4 4 LYS H H 1 8.479 0.007 . . . . . A 43 LYS H . 34112 1 20 . 1 1 4 4 LYS HA H 1 4.247 0.014 . . . . . A 43 LYS HA . 34112 1 21 . 1 1 4 4 LYS HB2 H 1 1.809 0.003 . . . . . A 43 LYS HB2 . 34112 1 22 . 1 1 4 4 LYS HB3 H 1 1.734 0.017 . . . . . A 43 LYS HB3 . 34112 1 23 . 1 1 4 4 LYS HG2 H 1 1.424 0.005 . . . . . A 43 LYS HG2 . 34112 1 24 . 1 1 4 4 LYS HD2 H 1 1.655 0.008 . . . . . A 43 LYS HD2 . 34112 1 25 . 1 1 4 4 LYS HE2 H 1 2.977 0.004 . . . . . A 43 LYS HE2 . 34112 1 26 . 1 1 4 4 LYS HE3 H 1 2.983 0.003 . . . . . A 43 LYS HE3 . 34112 1 27 . 1 1 4 4 LYS C C 13 176.560 0.000 . . . . . A 43 LYS C . 34112 1 28 . 1 1 4 4 LYS CA C 13 56.591 0.023 . . . . . A 43 LYS CA . 34112 1 29 . 1 1 4 4 LYS CB C 13 32.753 0.048 . . . . . A 43 LYS CB . 34112 1 30 . 1 1 4 4 LYS CG C 13 24.500 0.065 . . . . . A 43 LYS CG . 34112 1 31 . 1 1 4 4 LYS CD C 13 28.891 0.030 . . . . . A 43 LYS CD . 34112 1 32 . 1 1 4 4 LYS CE C 13 41.846 0.044 . . . . . A 43 LYS CE . 34112 1 33 . 1 1 4 4 LYS N N 15 123.244 0.036 . . . . . A 43 LYS N . 34112 1 34 . 1 1 5 5 GLU H H 1 8.522 0.009 . . . . . A 44 GLU H . 34112 1 35 . 1 1 5 5 GLU HA H 1 4.225 0.006 . . . . . A 44 GLU HA . 34112 1 36 . 1 1 5 5 GLU HB2 H 1 2.005 0.028 . . . . . A 44 GLU HB2 . 34112 1 37 . 1 1 5 5 GLU HB3 H 1 1.922 0.012 . . . . . A 44 GLU HB3 . 34112 1 38 . 1 1 5 5 GLU HG2 H 1 2.268 0.009 . . . . . A 44 GLU HG2 . 34112 1 39 . 1 1 5 5 GLU HG3 H 1 2.275 0.003 . . . . . A 44 GLU HG3 . 34112 1 40 . 1 1 5 5 GLU CA C 13 56.397 0.059 . . . . . A 44 GLU CA . 34112 1 41 . 1 1 5 5 GLU CB C 13 30.131 0.076 . . . . . A 44 GLU CB . 34112 1 42 . 1 1 5 5 GLU CG C 13 36.035 0.028 . . . . . A 44 GLU CG . 34112 1 43 . 1 1 5 5 GLU N N 15 122.575 0.035 . . . . . A 44 GLU N . 34112 1 44 . 1 1 6 6 ALA H H 1 8.488 0.008 . . . . . A 45 ALA H . 34112 1 45 . 1 1 6 6 ALA HA H 1 4.311 0.009 . . . . . A 45 ALA HA . 34112 1 46 . 1 1 6 6 ALA HB1 H 1 1.370 0.004 . . . . . A 45 ALA HB1 . 34112 1 47 . 1 1 6 6 ALA HB2 H 1 1.370 0.004 . . . . . A 45 ALA HB2 . 34112 1 48 . 1 1 6 6 ALA HB3 H 1 1.370 0.004 . . . . . A 45 ALA HB3 . 34112 1 49 . 1 1 6 6 ALA C C 13 177.839 0.000 . . . . . A 45 ALA C . 34112 1 50 . 1 1 6 6 ALA CA C 13 52.238 0.055 . . . . . A 45 ALA CA . 34112 1 51 . 1 1 6 6 ALA CB C 13 18.954 0.045 . . . . . A 45 ALA CB . 34112 1 52 . 1 1 6 6 ALA N N 15 125.857 0.071 . . . . . A 45 ALA N . 34112 1 53 . 1 1 7 7 VAL H H 1 8.254 0.008 . . . . . A 46 VAL H . 34112 1 54 . 1 1 7 7 VAL HA H 1 4.018 0.010 . . . . . A 46 VAL HA . 34112 1 55 . 1 1 7 7 VAL HB H 1 2.044 0.005 . . . . . A 46 VAL HB . 34112 1 56 . 1 1 7 7 VAL HG11 H 1 0.923 0.002 . . . . . A 46 VAL HG11 . 34112 1 57 . 1 1 7 7 VAL HG12 H 1 0.923 0.002 . . . . . A 46 VAL HG12 . 34112 1 58 . 1 1 7 7 VAL HG13 H 1 0.923 0.002 . . . . . A 46 VAL HG13 . 34112 1 59 . 1 1 7 7 VAL HG21 H 1 0.929 0.004 . . . . . A 46 VAL HG21 . 34112 1 60 . 1 1 7 7 VAL HG22 H 1 0.929 0.004 . . . . . A 46 VAL HG22 . 34112 1 61 . 1 1 7 7 VAL HG23 H 1 0.929 0.004 . . . . . A 46 VAL HG23 . 34112 1 62 . 1 1 7 7 VAL CA C 13 62.497 0.037 . . . . . A 46 VAL CA . 34112 1 63 . 1 1 7 7 VAL CB C 13 32.469 0.049 . . . . . A 46 VAL CB . 34112 1 64 . 1 1 7 7 VAL CG2 C 13 20.810 0.019 . . . . . A 46 VAL CG2 . 34112 1 65 . 1 1 7 7 VAL N N 15 119.954 0.038 . . . . . A 46 VAL N . 34112 1 66 . 1 1 8 8 ASN C C 13 173.852 0.000 . . . . . A 47 ASN C . 34112 1 67 . 1 1 8 8 ASN CA C 13 53.120 0.000 . . . . . A 47 ASN CA . 34112 1 68 . 1 1 8 8 ASN CB C 13 39.026 0.000 . . . . . A 47 ASN CB . 34112 1 69 . 1 1 9 9 ASP H H 1 7.996 0.004 . . . . . A 48 ASP H . 34112 1 70 . 1 1 9 9 ASP HA H 1 4.337 0.000 . . . . . A 48 ASP HA . 34112 1 71 . 1 1 9 9 ASP HB2 H 1 2.579 0.000 . . . . . A 48 ASP HB2 . 34112 1 72 . 1 1 9 9 ASP CA C 13 55.797 0.000 . . . . . A 48 ASP CA . 34112 1 73 . 1 1 9 9 ASP CB C 13 41.852 0.000 . . . . . A 48 ASP CB . 34112 1 74 . 1 1 9 9 ASP N N 15 126.467 0.036 . . . . . A 48 ASP N . 34112 1 75 . 1 1 10 10 LYS C C 13 178.025 0.000 . . . . . A 49 LYS C . 34112 1 76 . 1 1 10 10 LYS CA C 13 56.614 0.000 . . . . . A 49 LYS CA . 34112 1 77 . 1 1 10 10 LYS CB C 13 32.270 0.000 . . . . . A 49 LYS CB . 34112 1 78 . 1 1 10 10 LYS CG C 13 24.498 0.000 . . . . . A 49 LYS CG . 34112 1 79 . 1 1 10 10 LYS CD C 13 28.713 0.000 . . . . . A 49 LYS CD . 34112 1 80 . 1 1 10 10 LYS CE C 13 41.934 0.000 . . . . . A 49 LYS CE . 34112 1 81 . 1 1 11 11 GLY H H 1 8.497 0.006 . . . . . A 50 GLY H . 34112 1 82 . 1 1 11 11 GLY HA2 H 1 3.919 0.000 . . . . . A 50 GLY HA2 . 34112 1 83 . 1 1 11 11 GLY C C 13 177.199 0.000 . . . . . A 50 GLY C . 34112 1 84 . 1 1 11 11 GLY CA C 13 45.297 0.038 . . . . . A 50 GLY CA . 34112 1 85 . 1 1 11 11 GLY N N 15 109.164 0.097 . . . . . A 50 GLY N . 34112 1 86 . 1 1 12 12 LYS H H 1 8.145 0.004 . . . . . A 51 LYS H . 34112 1 87 . 1 1 12 12 LYS HG2 H 1 1.419 0.000 . . . . . A 51 LYS HG2 . 34112 1 88 . 1 1 12 12 LYS HE2 H 1 3.023 0.000 . . . . . A 51 LYS HE2 . 34112 1 89 . 1 1 12 12 LYS CA C 13 55.261 0.000 . . . . . A 51 LYS CA . 34112 1 90 . 1 1 12 12 LYS CB C 13 31.451 0.000 . . . . . A 51 LYS CB . 34112 1 91 . 1 1 12 12 LYS CG C 13 24.767 0.000 . . . . . A 51 LYS CG . 34112 1 92 . 1 1 12 12 LYS CD C 13 29.656 0.000 . . . . . A 51 LYS CD . 34112 1 93 . 1 1 12 12 LYS CE C 13 41.366 0.000 . . . . . A 51 LYS CE . 34112 1 94 . 1 1 12 12 LYS N N 15 120.317 0.025 . . . . . A 51 LYS N . 34112 1 95 . 1 1 13 13 ALA H H 1 8.493 0.003 . . . . . A 52 ALA H . 34112 1 96 . 1 1 13 13 ALA N N 15 125.894 0.096 . . . . . A 52 ALA N . 34112 1 97 . 1 1 14 14 ALA C C 13 177.630 0.000 . . . . . A 53 ALA C . 34112 1 98 . 1 1 14 14 ALA CA C 13 52.192 0.000 . . . . . A 53 ALA CA . 34112 1 99 . 1 1 14 14 ALA CB C 13 19.011 0.000 . . . . . A 53 ALA CB . 34112 1 100 . 1 1 15 15 VAL H H 1 8.226 0.019 . . . . . A 54 VAL H . 34112 1 101 . 1 1 15 15 VAL HA H 1 4.048 0.000 . . . . . A 54 VAL HA . 34112 1 102 . 1 1 15 15 VAL HB H 1 1.998 0.000 . . . . . A 54 VAL HB . 34112 1 103 . 1 1 15 15 VAL HG11 H 1 0.908 0.000 . . . . . A 54 VAL HG11 . 34112 1 104 . 1 1 15 15 VAL HG12 H 1 0.908 0.000 . . . . . A 54 VAL HG12 . 34112 1 105 . 1 1 15 15 VAL HG13 H 1 0.908 0.000 . . . . . A 54 VAL HG13 . 34112 1 106 . 1 1 15 15 VAL CA C 13 62.014 0.000 . . . . . A 54 VAL CA . 34112 1 107 . 1 1 15 15 VAL CB C 13 32.500 0.019 . . . . . A 54 VAL CB . 34112 1 108 . 1 1 15 15 VAL N N 15 120.523 0.273 . . . . . A 54 VAL N . 34112 1 109 . 1 1 16 16 VAL C C 13 177.125 0.000 . . . . . A 55 VAL C . 34112 1 110 . 1 1 16 16 VAL CA C 13 66.607 0.000 . . . . . A 55 VAL CA . 34112 1 111 . 1 1 16 16 VAL CB C 13 31.309 0.000 . . . . . A 55 VAL CB . 34112 1 112 . 1 1 17 17 LYS H H 1 7.602 0.004 . . . . . A 56 LYS H . 34112 1 113 . 1 1 17 17 LYS HA H 1 4.135 0.000 . . . . . A 56 LYS HA . 34112 1 114 . 1 1 17 17 LYS HB2 H 1 1.889 0.000 . . . . . A 56 LYS HB2 . 34112 1 115 . 1 1 17 17 LYS HG2 H 1 1.471 0.000 . . . . . A 56 LYS HG2 . 34112 1 116 . 1 1 17 17 LYS HD2 H 1 1.696 0.000 . . . . . A 56 LYS HD2 . 34112 1 117 . 1 1 17 17 LYS HE2 H 1 2.928 0.000 . . . . . A 56 LYS HE2 . 34112 1 118 . 1 1 17 17 LYS CA C 13 59.046 0.000 . . . . . A 56 LYS CA . 34112 1 119 . 1 1 17 17 LYS CB C 13 32.036 0.000 . . . . . A 56 LYS CB . 34112 1 120 . 1 1 17 17 LYS N N 15 117.591 0.038 . . . . . A 56 LYS N . 34112 1 121 . 1 1 19 19 VAL H H 1 8.013 0.003 . . . . . A 58 VAL H . 34112 1 122 . 1 1 19 19 VAL HA H 1 3.836 0.000 . . . . . A 58 VAL HA . 34112 1 123 . 1 1 19 19 VAL HB H 1 2.253 0.000 . . . . . A 58 VAL HB . 34112 1 124 . 1 1 19 19 VAL HG11 H 1 1.106 0.022 . . . . . A 58 VAL HG11 . 34112 1 125 . 1 1 19 19 VAL HG12 H 1 1.106 0.022 . . . . . A 58 VAL HG12 . 34112 1 126 . 1 1 19 19 VAL HG13 H 1 1.106 0.022 . . . . . A 58 VAL HG13 . 34112 1 127 . 1 1 19 19 VAL HG21 H 1 0.937 0.000 . . . . . A 58 VAL HG21 . 34112 1 128 . 1 1 19 19 VAL HG22 H 1 0.937 0.000 . . . . . A 58 VAL HG22 . 34112 1 129 . 1 1 19 19 VAL HG23 H 1 0.937 0.000 . . . . . A 58 VAL HG23 . 34112 1 130 . 1 1 19 19 VAL C C 13 177.722 0.000 . . . . . A 58 VAL C . 34112 1 131 . 1 1 19 19 VAL CA C 13 67.069 0.041 . . . . . A 58 VAL CA . 34112 1 132 . 1 1 19 19 VAL CB C 13 31.432 0.000 . . . . . A 58 VAL CB . 34112 1 133 . 1 1 19 19 VAL CG1 C 13 22.778 0.091 . . . . . A 58 VAL CG1 . 34112 1 134 . 1 1 19 19 VAL CG2 C 13 20.301 0.000 . . . . . A 58 VAL CG2 . 34112 1 135 . 1 1 19 19 VAL N N 15 117.300 0.077 . . . . . A 58 VAL N . 34112 1 136 . 1 1 20 20 GLU H H 1 8.598 0.003 . . . . . A 59 GLU H . 34112 1 137 . 1 1 20 20 GLU HA H 1 4.248 0.000 . . . . . A 59 GLU HA . 34112 1 138 . 1 1 20 20 GLU HB2 H 1 2.085 0.000 . . . . . A 59 GLU HB2 . 34112 1 139 . 1 1 20 20 GLU C C 13 179.780 0.000 . . . . . A 59 GLU C . 34112 1 140 . 1 1 20 20 GLU CA C 13 60.131 0.034 . . . . . A 59 GLU CA . 34112 1 141 . 1 1 20 20 GLU CB C 13 28.380 0.066 . . . . . A 59 GLU CB . 34112 1 142 . 1 1 20 20 GLU CG C 13 38.191 0.000 . . . . . A 59 GLU CG . 34112 1 143 . 1 1 20 20 GLU N N 15 116.754 0.053 . . . . . A 59 GLU N . 34112 1 144 . 1 1 21 21 SER H H 1 8.364 0.022 . . . . . A 60 SER H . 34112 1 145 . 1 1 21 21 SER HA H 1 4.282 0.027 . . . . . A 60 SER HA . 34112 1 146 . 1 1 21 21 SER HB2 H 1 4.003 0.009 . . . . . A 60 SER HB2 . 34112 1 147 . 1 1 21 21 SER HB3 H 1 4.003 0.010 . . . . . A 60 SER HB3 . 34112 1 148 . 1 1 21 21 SER HG H 1 4.928 0.002 . . . . . A 60 SER HG . 34112 1 149 . 1 1 21 21 SER CA C 13 61.871 0.079 . . . . . A 60 SER CA . 34112 1 150 . 1 1 21 21 SER CB C 13 62.682 0.101 . . . . . A 60 SER CB . 34112 1 151 . 1 1 21 21 SER N N 15 115.944 0.058 . . . . . A 60 SER N . 34112 1 152 . 1 1 22 22 GLN C C 13 178.765 0.000 . . . . . A 61 GLN C . 34112 1 153 . 1 1 22 22 GLN CA C 13 57.844 0.000 . . . . . A 61 GLN CA . 34112 1 154 . 1 1 22 22 GLN CB C 13 27.640 0.000 . . . . . A 61 GLN CB . 34112 1 155 . 1 1 23 23 ALA H H 1 8.602 0.005 . . . . . A 62 ALA H . 34112 1 156 . 1 1 23 23 ALA HA H 1 3.865 0.009 . . . . . A 62 ALA HA . 34112 1 157 . 1 1 23 23 ALA HB1 H 1 1.403 0.009 . . . . . A 62 ALA HB1 . 34112 1 158 . 1 1 23 23 ALA HB2 H 1 1.403 0.009 . . . . . A 62 ALA HB2 . 34112 1 159 . 1 1 23 23 ALA HB3 H 1 1.403 0.009 . . . . . A 62 ALA HB3 . 34112 1 160 . 1 1 23 23 ALA C C 13 178.796 0.000 . . . . . A 62 ALA C . 34112 1 161 . 1 1 23 23 ALA CA C 13 55.592 0.059 . . . . . A 62 ALA CA . 34112 1 162 . 1 1 23 23 ALA CB C 13 19.042 0.020 . . . . . A 62 ALA CB . 34112 1 163 . 1 1 23 23 ALA N N 15 123.035 0.030 . . . . . A 62 ALA N . 34112 1 164 . 1 1 24 24 GLU H H 1 7.761 0.006 . . . . . A 63 GLU H . 34112 1 165 . 1 1 24 24 GLU HA H 1 4.316 0.000 . . . . . A 63 GLU HA . 34112 1 166 . 1 1 24 24 GLU HB2 H 1 2.189 0.000 . . . . . A 63 GLU HB2 . 34112 1 167 . 1 1 24 24 GLU HG2 H 1 2.450 0.001 . . . . . A 63 GLU HG2 . 34112 1 168 . 1 1 24 24 GLU HG3 H 1 2.033 0.000 . . . . . A 63 GLU HG3 . 34112 1 169 . 1 1 24 24 GLU C C 13 179.282 0.000 . . . . . A 63 GLU C . 34112 1 170 . 1 1 24 24 GLU CA C 13 59.454 0.123 . . . . . A 63 GLU CA . 34112 1 171 . 1 1 24 24 GLU CB C 13 29.513 0.007 . . . . . A 63 GLU CB . 34112 1 172 . 1 1 24 24 GLU CG C 13 36.054 0.000 . . . . . A 63 GLU CG . 34112 1 173 . 1 1 24 24 GLU N N 15 118.694 0.049 . . . . . A 63 GLU N . 34112 1 174 . 1 1 25 25 LEU H H 1 7.757 0.012 . . . . . A 64 LEU H . 34112 1 175 . 1 1 25 25 LEU HA H 1 4.121 0.018 . . . . . A 64 LEU HA . 34112 1 176 . 1 1 25 25 LEU HB2 H 1 1.683 0.047 . . . . . A 64 LEU HB2 . 34112 1 177 . 1 1 25 25 LEU HB3 H 1 1.854 0.009 . . . . . A 64 LEU HB3 . 34112 1 178 . 1 1 25 25 LEU HG H 1 1.737 0.005 . . . . . A 64 LEU HG . 34112 1 179 . 1 1 25 25 LEU HD11 H 1 0.915 0.000 . . . . . A 64 LEU HD11 . 34112 1 180 . 1 1 25 25 LEU HD12 H 1 0.915 0.000 . . . . . A 64 LEU HD12 . 34112 1 181 . 1 1 25 25 LEU HD13 H 1 0.915 0.000 . . . . . A 64 LEU HD13 . 34112 1 182 . 1 1 25 25 LEU HD21 H 1 0.566 0.003 . . . . . A 64 LEU HD21 . 34112 1 183 . 1 1 25 25 LEU HD22 H 1 0.566 0.003 . . . . . A 64 LEU HD22 . 34112 1 184 . 1 1 25 25 LEU HD23 H 1 0.566 0.003 . . . . . A 64 LEU HD23 . 34112 1 185 . 1 1 25 25 LEU C C 13 178.783 0.000 . . . . . A 64 LEU C . 34112 1 186 . 1 1 25 25 LEU CA C 13 57.870 0.100 . . . . . A 64 LEU CA . 34112 1 187 . 1 1 25 25 LEU CB C 13 41.692 0.023 . . . . . A 64 LEU CB . 34112 1 188 . 1 1 25 25 LEU CG C 13 26.750 0.011 . . . . . A 64 LEU CG . 34112 1 189 . 1 1 25 25 LEU CD2 C 13 26.041 0.000 . . . . . A 64 LEU CD2 . 34112 1 190 . 1 1 25 25 LEU N N 15 119.509 0.120 . . . . . A 64 LEU N . 34112 1 191 . 1 1 26 26 TYR H H 1 8.599 0.010 . . . . . A 65 TYR H . 34112 1 192 . 1 1 26 26 TYR HA H 1 3.859 0.012 . . . . . A 65 TYR HA . 34112 1 193 . 1 1 26 26 TYR HB2 H 1 3.287 0.014 . . . . . A 65 TYR HB2 . 34112 1 194 . 1 1 26 26 TYR HB3 H 1 2.829 0.011 . . . . . A 65 TYR HB3 . 34112 1 195 . 1 1 26 26 TYR HD1 H 1 6.878 0.000 . . . . . A 65 TYR HD1 . 34112 1 196 . 1 1 26 26 TYR HD2 H 1 6.878 0.000 . . . . . A 65 TYR HD2 . 34112 1 197 . 1 1 26 26 TYR C C 13 176.939 0.000 . . . . . A 65 TYR C . 34112 1 198 . 1 1 26 26 TYR CA C 13 62.003 0.067 . . . . . A 65 TYR CA . 34112 1 199 . 1 1 26 26 TYR CB C 13 39.429 0.121 . . . . . A 65 TYR CB . 34112 1 200 . 1 1 26 26 TYR N N 15 120.318 0.074 . . . . . A 65 TYR N . 34112 1 201 . 1 1 27 27 SER H H 1 8.430 0.011 . . . . . A 66 SER H . 34112 1 202 . 1 1 27 27 SER HA H 1 4.639 0.010 . . . . . A 66 SER HA . 34112 1 203 . 1 1 27 27 SER HB2 H 1 4.044 0.021 . . . . . A 66 SER HB2 . 34112 1 204 . 1 1 27 27 SER HB3 H 1 3.868 0.000 . . . . . A 66 SER HB3 . 34112 1 205 . 1 1 27 27 SER C C 13 177.565 0.000 . . . . . A 66 SER C . 34112 1 206 . 1 1 27 27 SER CA C 13 62.176 0.064 . . . . . A 66 SER CA . 34112 1 207 . 1 1 27 27 SER CB C 13 63.231 0.106 . . . . . A 66 SER CB . 34112 1 208 . 1 1 27 27 SER N N 15 114.856 0.031 . . . . . A 66 SER N . 34112 1 209 . 1 1 28 28 LEU H H 1 7.809 0.008 . . . . . A 67 LEU H . 34112 1 210 . 1 1 28 28 LEU HA H 1 4.167 0.000 . . . . . A 67 LEU HA . 34112 1 211 . 1 1 28 28 LEU HB2 H 1 1.843 0.000 . . . . . A 67 LEU HB2 . 34112 1 212 . 1 1 28 28 LEU HB3 H 1 1.655 0.000 . . . . . A 67 LEU HB3 . 34112 1 213 . 1 1 28 28 LEU HG H 1 1.751 0.000 . . . . . A 67 LEU HG . 34112 1 214 . 1 1 28 28 LEU HD11 H 1 0.914 0.002 . . . . . A 67 LEU HD11 . 34112 1 215 . 1 1 28 28 LEU HD12 H 1 0.914 0.002 . . . . . A 67 LEU HD12 . 34112 1 216 . 1 1 28 28 LEU HD13 H 1 0.914 0.002 . . . . . A 67 LEU HD13 . 34112 1 217 . 1 1 28 28 LEU C C 13 178.719 0.000 . . . . . A 67 LEU C . 34112 1 218 . 1 1 28 28 LEU CA C 13 57.368 0.000 . . . . . A 67 LEU CA . 34112 1 219 . 1 1 28 28 LEU CB C 13 42.204 0.053 . . . . . A 67 LEU CB . 34112 1 220 . 1 1 28 28 LEU CD1 C 13 24.567 0.000 . . . . . A 67 LEU CD1 . 34112 1 221 . 1 1 28 28 LEU CD2 C 13 23.138 0.000 . . . . . A 67 LEU CD2 . 34112 1 222 . 1 1 28 28 LEU N N 15 122.131 0.029 . . . . . A 67 LEU N . 34112 1 223 . 1 1 29 29 GLU H H 1 7.963 0.008 . . . . . A 68 GLU H . 34112 1 224 . 1 1 29 29 GLU HA H 1 4.027 0.000 . . . . . A 68 GLU HA . 34112 1 225 . 1 1 29 29 GLU HB2 H 1 1.995 0.008 . . . . . A 68 GLU HB2 . 34112 1 226 . 1 1 29 29 GLU HG2 H 1 2.399 0.000 . . . . . A 68 GLU HG2 . 34112 1 227 . 1 1 29 29 GLU C C 13 178.583 0.000 . . . . . A 68 GLU C . 34112 1 228 . 1 1 29 29 GLU CA C 13 58.616 0.006 . . . . . A 68 GLU CA . 34112 1 229 . 1 1 29 29 GLU CB C 13 30.516 0.000 . . . . . A 68 GLU CB . 34112 1 230 . 1 1 29 29 GLU N N 15 117.892 0.031 . . . . . A 68 GLU N . 34112 1 231 . 1 1 30 30 LYS H H 1 8.448 0.003 . . . . . A 69 LYS H . 34112 1 232 . 1 1 30 30 LYS C C 13 176.509 0.000 . . . . . A 69 LYS C . 34112 1 233 . 1 1 30 30 LYS CA C 13 55.078 0.035 . . . . . A 69 LYS CA . 34112 1 234 . 1 1 30 30 LYS CB C 13 32.556 0.007 . . . . . A 69 LYS CB . 34112 1 235 . 1 1 30 30 LYS N N 15 114.118 0.030 . . . . . A 69 LYS N . 34112 1 236 . 1 1 31 31 ASN H H 1 8.115 0.007 . . . . . A 70 ASN H . 34112 1 237 . 1 1 31 31 ASN HA H 1 4.444 0.000 . . . . . A 70 ASN HA . 34112 1 238 . 1 1 31 31 ASN HB2 H 1 3.074 0.003 . . . . . A 70 ASN HB2 . 34112 1 239 . 1 1 31 31 ASN HB3 H 1 2.677 0.001 . . . . . A 70 ASN HB3 . 34112 1 240 . 1 1 31 31 ASN HD21 H 1 7.054 0.000 . . . . . A 70 ASN HD21 . 34112 1 241 . 1 1 31 31 ASN C C 13 173.450 0.000 . . . . . A 70 ASN C . 34112 1 242 . 1 1 31 31 ASN CA C 13 54.156 0.013 . . . . . A 70 ASN CA . 34112 1 243 . 1 1 31 31 ASN CB C 13 36.986 0.030 . . . . . A 70 ASN CB . 34112 1 244 . 1 1 31 31 ASN N N 15 116.650 0.052 . . . . . A 70 ASN N . 34112 1 245 . 1 1 32 32 GLU H H 1 7.054 0.007 . . . . . A 71 GLU H . 34112 1 246 . 1 1 32 32 GLU HA H 1 4.249 0.000 . . . . . A 71 GLU HA . 34112 1 247 . 1 1 32 32 GLU HB2 H 1 1.869 0.005 . . . . . A 71 GLU HB2 . 34112 1 248 . 1 1 32 32 GLU HB3 H 1 2.052 0.009 . . . . . A 71 GLU HB3 . 34112 1 249 . 1 1 32 32 GLU HG2 H 1 2.120 0.000 . . . . . A 71 GLU HG2 . 34112 1 250 . 1 1 32 32 GLU C C 13 174.458 0.000 . . . . . A 71 GLU C . 34112 1 251 . 1 1 32 32 GLU CA C 13 54.049 0.002 . . . . . A 71 GLU CA . 34112 1 252 . 1 1 32 32 GLU CB C 13 32.966 0.079 . . . . . A 71 GLU CB . 34112 1 253 . 1 1 32 32 GLU CG C 13 35.201 0.000 . . . . . A 71 GLU CG . 34112 1 254 . 1 1 32 32 GLU N N 15 112.264 0.032 . . . . . A 71 GLU N . 34112 1 255 . 1 1 33 33 ASP H H 1 8.638 0.014 . . . . . A 72 ASP H . 34112 1 256 . 1 1 33 33 ASP HA H 1 4.536 0.015 . . . . . A 72 ASP HA . 34112 1 257 . 1 1 33 33 ASP HB2 H 1 2.664 0.016 . . . . . A 72 ASP HB2 . 34112 1 258 . 1 1 33 33 ASP HB3 H 1 2.533 0.020 . . . . . A 72 ASP HB3 . 34112 1 259 . 1 1 33 33 ASP C C 13 176.094 0.000 . . . . . A 72 ASP C . 34112 1 260 . 1 1 33 33 ASP CA C 13 54.647 0.038 . . . . . A 72 ASP CA . 34112 1 261 . 1 1 33 33 ASP CB C 13 40.712 0.112 . . . . . A 72 ASP CB . 34112 1 262 . 1 1 33 33 ASP N N 15 119.898 0.061 . . . . . A 72 ASP N . 34112 1 263 . 1 1 34 34 ALA H H 1 8.875 0.005 . . . . . A 73 ALA H . 34112 1 264 . 1 1 34 34 ALA HA H 1 4.000 0.007 . . . . . A 73 ALA HA . 34112 1 265 . 1 1 34 34 ALA HB1 H 1 1.302 0.003 . . . . . A 73 ALA HB1 . 34112 1 266 . 1 1 34 34 ALA HB2 H 1 1.302 0.003 . . . . . A 73 ALA HB2 . 34112 1 267 . 1 1 34 34 ALA HB3 H 1 1.302 0.003 . . . . . A 73 ALA HB3 . 34112 1 268 . 1 1 34 34 ALA C C 13 175.744 0.000 . . . . . A 73 ALA C . 34112 1 269 . 1 1 34 34 ALA CA C 13 51.288 0.000 . . . . . A 73 ALA CA . 34112 1 270 . 1 1 34 34 ALA CB C 13 20.443 0.067 . . . . . A 73 ALA CB . 34112 1 271 . 1 1 34 34 ALA N N 15 122.813 0.020 . . . . . A 73 ALA N . 34112 1 272 . 1 1 35 35 SER H H 1 6.556 0.005 . . . . . A 74 SER H . 34112 1 273 . 1 1 35 35 SER HA H 1 4.719 0.016 . . . . . A 74 SER HA . 34112 1 274 . 1 1 35 35 SER HB2 H 1 3.708 0.005 . . . . . A 74 SER HB2 . 34112 1 275 . 1 1 35 35 SER HB3 H 1 4.204 0.007 . . . . . A 74 SER HB3 . 34112 1 276 . 1 1 35 35 SER C C 13 174.320 0.000 . . . . . A 74 SER C . 34112 1 277 . 1 1 35 35 SER CA C 13 55.559 0.021 . . . . . A 74 SER CA . 34112 1 278 . 1 1 35 35 SER CB C 13 66.318 0.054 . . . . . A 74 SER CB . 34112 1 279 . 1 1 35 35 SER N N 15 111.773 0.080 . . . . . A 74 SER N . 34112 1 280 . 1 1 36 36 LEU H H 1 9.642 0.007 . . . . . A 75 LEU H . 34112 1 281 . 1 1 36 36 LEU HA H 1 3.774 0.000 . . . . . A 75 LEU HA . 34112 1 282 . 1 1 36 36 LEU HB2 H 1 2.217 0.004 . . . . . A 75 LEU HB2 . 34112 1 283 . 1 1 36 36 LEU HB3 H 1 1.364 0.021 . . . . . A 75 LEU HB3 . 34112 1 284 . 1 1 36 36 LEU HG H 1 1.678 0.007 . . . . . A 75 LEU HG . 34112 1 285 . 1 1 36 36 LEU HD11 H 1 0.550 0.011 . . . . . A 75 LEU HD11 . 34112 1 286 . 1 1 36 36 LEU HD12 H 1 0.550 0.011 . . . . . A 75 LEU HD12 . 34112 1 287 . 1 1 36 36 LEU HD13 H 1 0.550 0.011 . . . . . A 75 LEU HD13 . 34112 1 288 . 1 1 36 36 LEU C C 13 179.383 0.000 . . . . . A 75 LEU C . 34112 1 289 . 1 1 36 36 LEU CA C 13 58.537 0.013 . . . . . A 75 LEU CA . 34112 1 290 . 1 1 36 36 LEU CB C 13 40.873 0.020 . . . . . A 75 LEU CB . 34112 1 291 . 1 1 36 36 LEU N N 15 123.481 0.046 . . . . . A 75 LEU N . 34112 1 292 . 1 1 37 37 ARG H H 1 8.212 0.011 . . . . . A 76 ARG H . 34112 1 293 . 1 1 37 37 ARG HA H 1 3.935 0.008 . . . . . A 76 ARG HA . 34112 1 294 . 1 1 37 37 ARG HB2 H 1 1.845 0.010 . . . . . A 76 ARG HB2 . 34112 1 295 . 1 1 37 37 ARG HB3 H 1 1.728 0.002 . . . . . A 76 ARG HB3 . 34112 1 296 . 1 1 37 37 ARG HG2 H 1 1.705 0.022 . . . . . A 76 ARG HG2 . 34112 1 297 . 1 1 37 37 ARG HG3 H 1 1.646 0.017 . . . . . A 76 ARG HG3 . 34112 1 298 . 1 1 37 37 ARG HD2 H 1 3.158 0.023 . . . . . A 76 ARG HD2 . 34112 1 299 . 1 1 37 37 ARG HD3 H 1 3.154 0.017 . . . . . A 76 ARG HD3 . 34112 1 300 . 1 1 37 37 ARG C C 13 179.508 0.000 . . . . . A 76 ARG C . 34112 1 301 . 1 1 37 37 ARG CA C 13 59.567 0.092 . . . . . A 76 ARG CA . 34112 1 302 . 1 1 37 37 ARG CB C 13 30.129 0.060 . . . . . A 76 ARG CB . 34112 1 303 . 1 1 37 37 ARG CG C 13 26.856 0.067 . . . . . A 76 ARG CG . 34112 1 304 . 1 1 37 37 ARG CD C 13 43.103 0.054 . . . . . A 76 ARG CD . 34112 1 305 . 1 1 37 37 ARG N N 15 118.684 0.051 . . . . . A 76 ARG N . 34112 1 306 . 1 1 38 38 LYS H H 1 7.768 0.006 . . . . . A 77 LYS H . 34112 1 307 . 1 1 38 38 LYS HA H 1 3.962 0.006 . . . . . A 77 LYS HA . 34112 1 308 . 1 1 38 38 LYS HB2 H 1 1.720 0.000 . . . . . A 77 LYS HB2 . 34112 1 309 . 1 1 38 38 LYS HG2 H 1 1.292 0.000 . . . . . A 77 LYS HG2 . 34112 1 310 . 1 1 38 38 LYS HD2 H 1 1.665 0.001 . . . . . A 77 LYS HD2 . 34112 1 311 . 1 1 38 38 LYS HE2 H 1 2.951 0.002 . . . . . A 77 LYS HE2 . 34112 1 312 . 1 1 38 38 LYS HE3 H 1 2.962 0.009 . . . . . A 77 LYS HE3 . 34112 1 313 . 1 1 38 38 LYS C C 13 179.211 0.000 . . . . . A 77 LYS C . 34112 1 314 . 1 1 38 38 LYS CA C 13 59.396 0.018 . . . . . A 77 LYS CA . 34112 1 315 . 1 1 38 38 LYS CB C 13 32.521 0.025 . . . . . A 77 LYS CB . 34112 1 316 . 1 1 38 38 LYS CD C 13 29.135 0.045 . . . . . A 77 LYS CD . 34112 1 317 . 1 1 38 38 LYS CE C 13 41.924 0.032 . . . . . A 77 LYS CE . 34112 1 318 . 1 1 38 38 LYS N N 15 120.013 0.054 . . . . . A 77 LYS N . 34112 1 319 . 1 1 39 39 LEU H H 1 8.162 0.008 . . . . . A 78 LEU H . 34112 1 320 . 1 1 39 39 LEU HA H 1 3.759 0.017 . . . . . A 78 LEU HA . 34112 1 321 . 1 1 39 39 LEU HB2 H 1 1.846 0.006 . . . . . A 78 LEU HB2 . 34112 1 322 . 1 1 39 39 LEU HB3 H 1 1.117 0.005 . . . . . A 78 LEU HB3 . 34112 1 323 . 1 1 39 39 LEU HG H 1 1.589 0.002 . . . . . A 78 LEU HG . 34112 1 324 . 1 1 39 39 LEU HD11 H 1 0.554 0.030 . . . . . A 78 LEU HD11 . 34112 1 325 . 1 1 39 39 LEU HD12 H 1 0.554 0.030 . . . . . A 78 LEU HD12 . 34112 1 326 . 1 1 39 39 LEU HD13 H 1 0.554 0.030 . . . . . A 78 LEU HD13 . 34112 1 327 . 1 1 39 39 LEU HD21 H 1 0.765 0.000 . . . . . A 78 LEU HD21 . 34112 1 328 . 1 1 39 39 LEU HD22 H 1 0.765 0.000 . . . . . A 78 LEU HD22 . 34112 1 329 . 1 1 39 39 LEU HD23 H 1 0.765 0.000 . . . . . A 78 LEU HD23 . 34112 1 330 . 1 1 39 39 LEU C C 13 179.106 0.000 . . . . . A 78 LEU C . 34112 1 331 . 1 1 39 39 LEU CA C 13 57.590 0.021 . . . . . A 78 LEU CA . 34112 1 332 . 1 1 39 39 LEU CB C 13 42.388 0.032 . . . . . A 78 LEU CB . 34112 1 333 . 1 1 39 39 LEU CG C 13 26.369 0.085 . . . . . A 78 LEU CG . 34112 1 334 . 1 1 39 39 LEU CD1 C 13 25.745 0.060 . . . . . A 78 LEU CD1 . 34112 1 335 . 1 1 39 39 LEU N N 15 117.115 0.067 . . . . . A 78 LEU N . 34112 1 336 . 1 1 40 40 GLN H H 1 8.241 0.005 . . . . . A 79 GLN H . 34112 1 337 . 1 1 40 40 GLN HA H 1 4.277 0.008 . . . . . A 79 GLN HA . 34112 1 338 . 1 1 40 40 GLN HB2 H 1 2.081 0.019 . . . . . A 79 GLN HB2 . 34112 1 339 . 1 1 40 40 GLN HB3 H 1 2.003 0.000 . . . . . A 79 GLN HB3 . 34112 1 340 . 1 1 40 40 GLN HG2 H 1 2.212 0.002 . . . . . A 79 GLN HG2 . 34112 1 341 . 1 1 40 40 GLN HE21 H 1 6.947 0.000 . . . . . A 79 GLN HE21 . 34112 1 342 . 1 1 40 40 GLN C C 13 179.897 0.000 . . . . . A 79 GLN C . 34112 1 343 . 1 1 40 40 GLN CA C 13 58.674 0.011 . . . . . A 79 GLN CA . 34112 1 344 . 1 1 40 40 GLN CB C 13 29.563 0.000 . . . . . A 79 GLN CB . 34112 1 345 . 1 1 40 40 GLN CG C 13 34.859 0.047 . . . . . A 79 GLN CG . 34112 1 346 . 1 1 40 40 GLN N N 15 119.573 0.173 . . . . . A 79 GLN N . 34112 1 347 . 1 1 41 41 ALA H H 1 8.242 0.006 . . . . . A 80 ALA H . 34112 1 348 . 1 1 41 41 ALA HA H 1 4.140 0.005 . . . . . A 80 ALA HA . 34112 1 349 . 1 1 41 41 ALA HB1 H 1 1.508 0.006 . . . . . A 80 ALA HB1 . 34112 1 350 . 1 1 41 41 ALA HB2 H 1 1.508 0.006 . . . . . A 80 ALA HB2 . 34112 1 351 . 1 1 41 41 ALA HB3 H 1 1.508 0.006 . . . . . A 80 ALA HB3 . 34112 1 352 . 1 1 41 41 ALA C C 13 178.868 0.000 . . . . . A 80 ALA C . 34112 1 353 . 1 1 41 41 ALA CA C 13 54.877 0.076 . . . . . A 80 ALA CA . 34112 1 354 . 1 1 41 41 ALA CB C 13 17.775 0.029 . . . . . A 80 ALA CB . 34112 1 355 . 1 1 41 41 ALA N N 15 123.713 0.041 . . . . . A 80 ALA N . 34112 1 356 . 1 1 42 42 ASP H H 1 7.606 0.009 . . . . . A 81 ASP H . 34112 1 357 . 1 1 42 42 ASP HA H 1 4.555 0.008 . . . . . A 81 ASP HA . 34112 1 358 . 1 1 42 42 ASP HB2 H 1 2.743 0.035 . . . . . A 81 ASP HB2 . 34112 1 359 . 1 1 42 42 ASP HB3 H 1 2.736 0.037 . . . . . A 81 ASP HB3 . 34112 1 360 . 1 1 42 42 ASP C C 13 176.415 0.000 . . . . . A 81 ASP C . 34112 1 361 . 1 1 42 42 ASP CA C 13 54.046 0.180 . . . . . A 81 ASP CA . 34112 1 362 . 1 1 42 42 ASP CB C 13 42.456 0.060 . . . . . A 81 ASP CB . 34112 1 363 . 1 1 42 42 ASP N N 15 114.651 0.046 . . . . . A 81 ASP N . 34112 1 364 . 1 1 43 43 GLY H H 1 7.923 0.011 . . . . . A 82 GLY H . 34112 1 365 . 1 1 43 43 GLY HA2 H 1 4.076 0.016 . . . . . A 82 GLY HA2 . 34112 1 366 . 1 1 43 43 GLY HA3 H 1 3.914 0.007 . . . . . A 82 GLY HA3 . 34112 1 367 . 1 1 43 43 GLY C C 13 174.977 0.000 . . . . . A 82 GLY C . 34112 1 368 . 1 1 43 43 GLY CA C 13 45.725 0.104 . . . . . A 82 GLY CA . 34112 1 369 . 1 1 43 43 GLY N N 15 107.011 0.033 . . . . . A 82 GLY N . 34112 1 370 . 1 1 44 44 ARG H H 1 8.249 0.006 . . . . . A 83 ARG H . 34112 1 371 . 1 1 44 44 ARG HA H 1 4.126 0.009 . . . . . A 83 ARG HA . 34112 1 372 . 1 1 44 44 ARG HB2 H 1 2.114 0.024 . . . . . A 83 ARG HB2 . 34112 1 373 . 1 1 44 44 ARG HB3 H 1 1.626 0.008 . . . . . A 83 ARG HB3 . 34112 1 374 . 1 1 44 44 ARG HG2 H 1 1.799 0.016 . . . . . A 83 ARG HG2 . 34112 1 375 . 1 1 44 44 ARG HD2 H 1 3.121 0.003 . . . . . A 83 ARG HD2 . 34112 1 376 . 1 1 44 44 ARG C C 13 176.562 0.000 . . . . . A 83 ARG C . 34112 1 377 . 1 1 44 44 ARG CA C 13 57.606 0.070 . . . . . A 83 ARG CA . 34112 1 378 . 1 1 44 44 ARG CB C 13 31.194 0.077 . . . . . A 83 ARG CB . 34112 1 379 . 1 1 44 44 ARG N N 15 117.558 0.055 . . . . . A 83 ARG N . 34112 1 380 . 1 1 45 45 ILE H H 1 6.957 0.012 . . . . . A 84 ILE H . 34112 1 381 . 1 1 45 45 ILE HA H 1 4.311 0.042 . . . . . A 84 ILE HA . 34112 1 382 . 1 1 45 45 ILE HB H 1 2.058 0.012 . . . . . A 84 ILE HB . 34112 1 383 . 1 1 45 45 ILE HG12 H 1 1.132 0.011 . . . . . A 84 ILE HG12 . 34112 1 384 . 1 1 45 45 ILE HG13 H 1 1.503 0.000 . . . . . A 84 ILE HG13 . 34112 1 385 . 1 1 45 45 ILE HG21 H 1 0.692 0.005 . . . . . A 84 ILE HG21 . 34112 1 386 . 1 1 45 45 ILE HG22 H 1 0.692 0.005 . . . . . A 84 ILE HG22 . 34112 1 387 . 1 1 45 45 ILE HG23 H 1 0.692 0.005 . . . . . A 84 ILE HG23 . 34112 1 388 . 1 1 45 45 ILE HD11 H 1 0.681 0.002 . . . . . A 84 ILE HD11 . 34112 1 389 . 1 1 45 45 ILE HD12 H 1 0.681 0.002 . . . . . A 84 ILE HD12 . 34112 1 390 . 1 1 45 45 ILE HD13 H 1 0.681 0.002 . . . . . A 84 ILE HD13 . 34112 1 391 . 1 1 45 45 ILE CA C 13 58.015 0.005 . . . . . A 84 ILE CA . 34112 1 392 . 1 1 45 45 ILE CB C 13 41.029 0.049 . . . . . A 84 ILE CB . 34112 1 393 . 1 1 45 45 ILE CG2 C 13 16.929 0.100 . . . . . A 84 ILE CG2 . 34112 1 394 . 1 1 45 45 ILE CD1 C 13 14.868 0.042 . . . . . A 84 ILE CD1 . 34112 1 395 . 1 1 45 45 ILE N N 15 106.157 0.070 . . . . . A 84 ILE N . 34112 1 396 . 1 1 46 46 THR HA H 1 4.528 0.000 . . . . . A 85 THR HA . 34112 1 397 . 1 1 46 46 THR C C 13 175.285 0.000 . . . . . A 85 THR C . 34112 1 398 . 1 1 46 46 THR CA C 13 59.665 0.000 . . . . . A 85 THR CA . 34112 1 399 . 1 1 46 46 THR CB C 13 71.373 0.000 . . . . . A 85 THR CB . 34112 1 400 . 1 1 47 47 GLU H H 1 9.110 0.004 . . . . . A 86 GLU H . 34112 1 401 . 1 1 47 47 GLU HA H 1 3.986 0.000 . . . . . A 86 GLU HA . 34112 1 402 . 1 1 47 47 GLU HB2 H 1 1.983 0.014 . . . . . A 86 GLU HB2 . 34112 1 403 . 1 1 47 47 GLU HB3 H 1 2.068 0.010 . . . . . A 86 GLU HB3 . 34112 1 404 . 1 1 47 47 GLU HG2 H 1 2.227 0.018 . . . . . A 86 GLU HG2 . 34112 1 405 . 1 1 47 47 GLU HG3 H 1 2.064 0.009 . . . . . A 86 GLU HG3 . 34112 1 406 . 1 1 47 47 GLU C C 13 178.557 0.000 . . . . . A 86 GLU C . 34112 1 407 . 1 1 47 47 GLU CA C 13 59.368 0.097 . . . . . A 86 GLU CA . 34112 1 408 . 1 1 47 47 GLU CB C 13 29.231 0.070 . . . . . A 86 GLU CB . 34112 1 409 . 1 1 47 47 GLU CG C 13 34.897 0.079 . . . . . A 86 GLU CG . 34112 1 410 . 1 1 47 47 GLU N N 15 121.936 0.045 . . . . . A 86 GLU N . 34112 1 411 . 1 1 48 48 GLU H H 1 8.605 0.006 . . . . . A 87 GLU H . 34112 1 412 . 1 1 48 48 GLU HA H 1 3.966 0.007 . . . . . A 87 GLU HA . 34112 1 413 . 1 1 48 48 GLU HB2 H 1 2.049 0.005 . . . . . A 87 GLU HB2 . 34112 1 414 . 1 1 48 48 GLU HB3 H 1 1.938 0.005 . . . . . A 87 GLU HB3 . 34112 1 415 . 1 1 48 48 GLU HG2 H 1 2.321 0.005 . . . . . A 87 GLU HG2 . 34112 1 416 . 1 1 48 48 GLU HG3 H 1 2.313 0.009 . . . . . A 87 GLU HG3 . 34112 1 417 . 1 1 48 48 GLU C C 13 179.914 0.000 . . . . . A 87 GLU C . 34112 1 418 . 1 1 48 48 GLU CA C 13 59.653 0.102 . . . . . A 87 GLU CA . 34112 1 419 . 1 1 48 48 GLU CB C 13 29.187 0.087 . . . . . A 87 GLU CB . 34112 1 420 . 1 1 48 48 GLU CG C 13 36.425 0.080 . . . . . A 87 GLU CG . 34112 1 421 . 1 1 48 48 GLU N N 15 118.177 0.041 . . . . . A 87 GLU N . 34112 1 422 . 1 1 49 49 GLN H H 1 7.896 0.022 . . . . . A 88 GLN H . 34112 1 423 . 1 1 49 49 GLN HA H 1 3.990 0.033 . . . . . A 88 GLN HA . 34112 1 424 . 1 1 49 49 GLN HB2 H 1 2.381 0.024 . . . . . A 88 GLN HB2 . 34112 1 425 . 1 1 49 49 GLN HB3 H 1 2.378 0.025 . . . . . A 88 GLN HB3 . 34112 1 426 . 1 1 49 49 GLN HG2 H 1 2.507 0.005 . . . . . A 88 GLN HG2 . 34112 1 427 . 1 1 49 49 GLN HG3 H 1 2.344 0.009 . . . . . A 88 GLN HG3 . 34112 1 428 . 1 1 49 49 GLN C C 13 177.840 0.000 . . . . . A 88 GLN C . 34112 1 429 . 1 1 49 49 GLN CA C 13 58.644 0.098 . . . . . A 88 GLN CA . 34112 1 430 . 1 1 49 49 GLN CB C 13 27.924 0.092 . . . . . A 88 GLN CB . 34112 1 431 . 1 1 49 49 GLN CG C 13 34.511 0.039 . . . . . A 88 GLN CG . 34112 1 432 . 1 1 49 49 GLN N N 15 120.253 0.063 . . . . . A 88 GLN N . 34112 1 433 . 1 1 50 50 ALA H H 1 8.294 0.004 . . . . . A 89 ALA H . 34112 1 434 . 1 1 50 50 ALA HA H 1 3.861 0.000 . . . . . A 89 ALA HA . 34112 1 435 . 1 1 50 50 ALA HB1 H 1 1.435 0.000 . . . . . A 89 ALA HB1 . 34112 1 436 . 1 1 50 50 ALA HB2 H 1 1.435 0.000 . . . . . A 89 ALA HB2 . 34112 1 437 . 1 1 50 50 ALA HB3 H 1 1.435 0.000 . . . . . A 89 ALA HB3 . 34112 1 438 . 1 1 50 50 ALA C C 13 179.303 0.000 . . . . . A 89 ALA C . 34112 1 439 . 1 1 50 50 ALA CA C 13 55.596 0.149 . . . . . A 89 ALA CA . 34112 1 440 . 1 1 50 50 ALA CB C 13 18.258 0.014 . . . . . A 89 ALA CB . 34112 1 441 . 1 1 50 50 ALA N N 15 121.648 0.073 . . . . . A 89 ALA N . 34112 1 442 . 1 1 51 51 LYS H H 1 8.399 0.013 . . . . . A 90 LYS H . 34112 1 443 . 1 1 51 51 LYS HA H 1 3.940 0.003 . . . . . A 90 LYS HA . 34112 1 444 . 1 1 51 51 LYS HB2 H 1 1.869 0.005 . . . . . A 90 LYS HB2 . 34112 1 445 . 1 1 51 51 LYS HB3 H 1 1.545 0.000 . . . . . A 90 LYS HB3 . 34112 1 446 . 1 1 51 51 LYS HG2 H 1 1.388 0.014 . . . . . A 90 LYS HG2 . 34112 1 447 . 1 1 51 51 LYS HD2 H 1 1.663 0.003 . . . . . A 90 LYS HD2 . 34112 1 448 . 1 1 51 51 LYS HE2 H 1 2.971 0.011 . . . . . A 90 LYS HE2 . 34112 1 449 . 1 1 51 51 LYS HE3 H 1 2.971 0.011 . . . . . A 90 LYS HE3 . 34112 1 450 . 1 1 51 51 LYS C C 13 179.016 0.000 . . . . . A 90 LYS C . 34112 1 451 . 1 1 51 51 LYS CA C 13 59.692 0.010 . . . . . A 90 LYS CA . 34112 1 452 . 1 1 51 51 LYS CB C 13 32.519 0.063 . . . . . A 90 LYS CB . 34112 1 453 . 1 1 51 51 LYS CG C 13 24.926 0.095 . . . . . A 90 LYS CG . 34112 1 454 . 1 1 51 51 LYS CD C 13 28.963 0.000 . . . . . A 90 LYS CD . 34112 1 455 . 1 1 51 51 LYS N N 15 117.755 0.040 . . . . . A 90 LYS N . 34112 1 456 . 1 1 52 52 ALA H H 1 8.147 0.011 . . . . . A 91 ALA H . 34112 1 457 . 1 1 52 52 ALA HA H 1 4.217 0.006 . . . . . A 91 ALA HA . 34112 1 458 . 1 1 52 52 ALA HB1 H 1 1.557 0.008 . . . . . A 91 ALA HB1 . 34112 1 459 . 1 1 52 52 ALA HB2 H 1 1.557 0.008 . . . . . A 91 ALA HB2 . 34112 1 460 . 1 1 52 52 ALA HB3 H 1 1.557 0.008 . . . . . A 91 ALA HB3 . 34112 1 461 . 1 1 52 52 ALA C C 13 180.243 0.000 . . . . . A 91 ALA C . 34112 1 462 . 1 1 52 52 ALA CA C 13 54.661 0.057 . . . . . A 91 ALA CA . 34112 1 463 . 1 1 52 52 ALA CB C 13 18.243 0.050 . . . . . A 91 ALA CB . 34112 1 464 . 1 1 52 52 ALA N N 15 121.452 0.056 . . . . . A 91 ALA N . 34112 1 465 . 1 1 53 53 TYR H H 1 8.625 0.008 . . . . . A 92 TYR H . 34112 1 466 . 1 1 53 53 TYR HA H 1 3.874 0.004 . . . . . A 92 TYR HA . 34112 1 467 . 1 1 53 53 TYR HB2 H 1 3.035 0.008 . . . . . A 92 TYR HB2 . 34112 1 468 . 1 1 53 53 TYR HB3 H 1 3.261 0.004 . . . . . A 92 TYR HB3 . 34112 1 469 . 1 1 53 53 TYR HD1 H 1 7.008 0.006 . . . . . A 92 TYR HD1 . 34112 1 470 . 1 1 53 53 TYR HD2 H 1 7.008 0.006 . . . . . A 92 TYR HD2 . 34112 1 471 . 1 1 53 53 TYR C C 13 177.894 0.000 . . . . . A 92 TYR C . 34112 1 472 . 1 1 53 53 TYR CA C 13 62.328 0.031 . . . . . A 92 TYR CA . 34112 1 473 . 1 1 53 53 TYR CB C 13 39.046 0.088 . . . . . A 92 TYR CB . 34112 1 474 . 1 1 53 53 TYR N N 15 120.671 0.053 . . . . . A 92 TYR N . 34112 1 475 . 1 1 54 54 LYS H H 1 8.359 0.005 . . . . . A 93 LYS H . 34112 1 476 . 1 1 54 54 LYS HA H 1 3.948 0.005 . . . . . A 93 LYS HA . 34112 1 477 . 1 1 54 54 LYS HB2 H 1 1.948 0.000 . . . . . A 93 LYS HB2 . 34112 1 478 . 1 1 54 54 LYS HG2 H 1 1.697 0.012 . . . . . A 93 LYS HG2 . 34112 1 479 . 1 1 54 54 LYS HD2 H 1 1.436 0.000 . . . . . A 93 LYS HD2 . 34112 1 480 . 1 1 54 54 LYS HE2 H 1 2.951 0.000 . . . . . A 93 LYS HE2 . 34112 1 481 . 1 1 54 54 LYS HE3 H 1 2.953 0.002 . . . . . A 93 LYS HE3 . 34112 1 482 . 1 1 54 54 LYS C C 13 178.109 0.000 . . . . . A 93 LYS C . 34112 1 483 . 1 1 54 54 LYS CA C 13 60.113 0.035 . . . . . A 93 LYS CA . 34112 1 484 . 1 1 54 54 LYS CB C 13 32.053 0.007 . . . . . A 93 LYS CB . 34112 1 485 . 1 1 54 54 LYS CG C 13 24.907 0.132 . . . . . A 93 LYS CG . 34112 1 486 . 1 1 54 54 LYS CD C 13 29.035 0.000 . . . . . A 93 LYS CD . 34112 1 487 . 1 1 54 54 LYS CE C 13 41.784 0.098 . . . . . A 93 LYS CE . 34112 1 488 . 1 1 54 54 LYS N N 15 121.376 0.063 . . . . . A 93 LYS N . 34112 1 489 . 1 1 55 55 GLU H H 1 8.297 0.023 . . . . . A 94 GLU H . 34112 1 490 . 1 1 55 55 GLU HA H 1 4.018 0.012 . . . . . A 94 GLU HA . 34112 1 491 . 1 1 55 55 GLU HB2 H 1 2.101 0.002 . . . . . A 94 GLU HB2 . 34112 1 492 . 1 1 55 55 GLU HB3 H 1 2.007 0.019 . . . . . A 94 GLU HB3 . 34112 1 493 . 1 1 55 55 GLU HG2 H 1 2.449 0.004 . . . . . A 94 GLU HG2 . 34112 1 494 . 1 1 55 55 GLU HG3 H 1 2.213 0.008 . . . . . A 94 GLU HG3 . 34112 1 495 . 1 1 55 55 GLU C C 13 178.620 0.000 . . . . . A 94 GLU C . 34112 1 496 . 1 1 55 55 GLU CA C 13 59.237 0.020 . . . . . A 94 GLU CA . 34112 1 497 . 1 1 55 55 GLU CB C 13 29.473 0.035 . . . . . A 94 GLU CB . 34112 1 498 . 1 1 55 55 GLU CG C 13 36.220 0.035 . . . . . A 94 GLU CG . 34112 1 499 . 1 1 55 55 GLU N N 15 118.394 0.039 . . . . . A 94 GLU N . 34112 1 500 . 1 1 56 56 TYR H H 1 8.140 0.005 . . . . . A 95 TYR H . 34112 1 501 . 1 1 56 56 TYR HA H 1 4.082 0.000 . . . . . A 95 TYR HA . 34112 1 502 . 1 1 56 56 TYR HB2 H 1 3.026 0.000 . . . . . A 95 TYR HB2 . 34112 1 503 . 1 1 56 56 TYR HB3 H 1 2.808 0.000 . . . . . A 95 TYR HB3 . 34112 1 504 . 1 1 56 56 TYR HD1 H 1 7.079 0.000 . . . . . A 95 TYR HD1 . 34112 1 505 . 1 1 56 56 TYR HD2 H 1 7.079 0.000 . . . . . A 95 TYR HD2 . 34112 1 506 . 1 1 56 56 TYR HE1 H 1 6.815 0.000 . . . . . A 95 TYR HE1 . 34112 1 507 . 1 1 56 56 TYR HE2 H 1 6.815 0.000 . . . . . A 95 TYR HE2 . 34112 1 508 . 1 1 56 56 TYR C C 13 177.729 0.000 . . . . . A 95 TYR C . 34112 1 509 . 1 1 56 56 TYR CA C 13 60.931 0.069 . . . . . A 95 TYR CA . 34112 1 510 . 1 1 56 56 TYR CB C 13 38.178 0.050 . . . . . A 95 TYR CB . 34112 1 511 . 1 1 56 56 TYR N N 15 119.027 0.031 . . . . . A 95 TYR N . 34112 1 512 . 1 1 57 57 ASN H H 1 7.745 0.008 . . . . . A 96 ASN H . 34112 1 513 . 1 1 57 57 ASN HA H 1 4.242 0.006 . . . . . A 96 ASN HA . 34112 1 514 . 1 1 57 57 ASN HB2 H 1 2.589 0.018 . . . . . A 96 ASN HB2 . 34112 1 515 . 1 1 57 57 ASN HB3 H 1 2.520 0.015 . . . . . A 96 ASN HB3 . 34112 1 516 . 1 1 57 57 ASN HD21 H 1 6.815 0.000 . . . . . A 96 ASN HD21 . 34112 1 517 . 1 1 57 57 ASN HD22 H 1 6.962 0.000 . . . . . A 96 ASN HD22 . 34112 1 518 . 1 1 57 57 ASN C C 13 176.655 0.000 . . . . . A 96 ASN C . 34112 1 519 . 1 1 57 57 ASN CA C 13 55.923 0.065 . . . . . A 96 ASN CA . 34112 1 520 . 1 1 57 57 ASN CB C 13 39.149 0.062 . . . . . A 96 ASN CB . 34112 1 521 . 1 1 57 57 ASN N N 15 117.094 0.036 . . . . . A 96 ASN N . 34112 1 522 . 1 1 58 58 ASP H H 1 8.705 0.012 . . . . . A 97 ASP H . 34112 1 523 . 1 1 58 58 ASP HA H 1 4.317 0.007 . . . . . A 97 ASP HA . 34112 1 524 . 1 1 58 58 ASP HB2 H 1 2.764 0.006 . . . . . A 97 ASP HB2 . 34112 1 525 . 1 1 58 58 ASP HB3 H 1 2.625 0.009 . . . . . A 97 ASP HB3 . 34112 1 526 . 1 1 58 58 ASP C C 13 178.791 0.000 . . . . . A 97 ASP C . 34112 1 527 . 1 1 58 58 ASP CA C 13 56.681 0.018 . . . . . A 97 ASP CA . 34112 1 528 . 1 1 58 58 ASP CB C 13 39.994 0.018 . . . . . A 97 ASP CB . 34112 1 529 . 1 1 58 58 ASP N N 15 121.247 0.034 . . . . . A 97 ASP N . 34112 1 530 . 1 1 59 59 LYS H H 1 7.752 0.011 . . . . . A 98 LYS H . 34112 1 531 . 1 1 59 59 LYS HA H 1 4.128 0.010 . . . . . A 98 LYS HA . 34112 1 532 . 1 1 59 59 LYS HB2 H 1 1.788 0.005 . . . . . A 98 LYS HB2 . 34112 1 533 . 1 1 59 59 LYS HG2 H 1 1.445 0.000 . . . . . A 98 LYS HG2 . 34112 1 534 . 1 1 59 59 LYS HD2 H 1 1.609 0.000 . . . . . A 98 LYS HD2 . 34112 1 535 . 1 1 59 59 LYS HE2 H 1 2.756 0.011 . . . . . A 98 LYS HE2 . 34112 1 536 . 1 1 59 59 LYS C C 13 177.151 0.000 . . . . . A 98 LYS C . 34112 1 537 . 1 1 59 59 LYS CA C 13 57.747 0.046 . . . . . A 98 LYS CA . 34112 1 538 . 1 1 59 59 LYS CB C 13 32.426 0.034 . . . . . A 98 LYS CB . 34112 1 539 . 1 1 59 59 LYS CG C 13 24.716 0.000 . . . . . A 98 LYS CG . 34112 1 540 . 1 1 59 59 LYS CD C 13 28.757 0.000 . . . . . A 98 LYS CD . 34112 1 541 . 1 1 59 59 LYS CE C 13 41.965 0.124 . . . . . A 98 LYS CE . 34112 1 542 . 1 1 59 59 LYS N N 15 118.464 0.093 . . . . . A 98 LYS N . 34112 1 543 . 1 1 60 60 ASN H H 1 7.552 0.005 . . . . . A 99 ASN H . 34112 1 544 . 1 1 60 60 ASN HA H 1 4.736 0.014 . . . . . A 99 ASN HA . 34112 1 545 . 1 1 60 60 ASN HB2 H 1 2.618 0.016 . . . . . A 99 ASN HB2 . 34112 1 546 . 1 1 60 60 ASN HB3 H 1 2.574 0.008 . . . . . A 99 ASN HB3 . 34112 1 547 . 1 1 60 60 ASN C C 13 175.985 0.000 . . . . . A 99 ASN C . 34112 1 548 . 1 1 60 60 ASN CA C 13 52.786 0.116 . . . . . A 99 ASN CA . 34112 1 549 . 1 1 60 60 ASN CB C 13 38.815 0.076 . . . . . A 99 ASN CB . 34112 1 550 . 1 1 60 60 ASN N N 15 115.752 0.020 . . . . . A 99 ASN N . 34112 1 551 . 1 1 61 61 GLY H H 1 7.929 0.005 . . . . . A 100 GLY H . 34112 1 552 . 1 1 61 61 GLY HA2 H 1 4.081 0.009 . . . . . A 100 GLY HA2 . 34112 1 553 . 1 1 61 61 GLY HA3 H 1 3.880 0.007 . . . . . A 100 GLY HA3 . 34112 1 554 . 1 1 61 61 GLY C C 13 175.191 0.000 . . . . . A 100 GLY C . 34112 1 555 . 1 1 61 61 GLY CA C 13 45.969 0.014 . . . . . A 100 GLY CA . 34112 1 556 . 1 1 61 61 GLY N N 15 108.830 0.033 . . . . . A 100 GLY N . 34112 1 557 . 1 1 62 62 GLY H H 1 8.499 0.012 . . . . . A 101 GLY H . 34112 1 558 . 1 1 62 62 GLY HA2 H 1 3.813 0.010 . . . . . A 101 GLY HA2 . 34112 1 559 . 1 1 62 62 GLY HA3 H 1 3.964 0.017 . . . . . A 101 GLY HA3 . 34112 1 560 . 1 1 62 62 GLY C C 13 174.987 0.000 . . . . . A 101 GLY C . 34112 1 561 . 1 1 62 62 GLY CA C 13 45.889 0.029 . . . . . A 101 GLY CA . 34112 1 562 . 1 1 62 62 GLY N N 15 108.870 0.061 . . . . . A 101 GLY N . 34112 1 563 . 1 1 63 63 ALA H H 1 7.934 0.005 . . . . . A 102 ALA H . 34112 1 564 . 1 1 63 63 ALA HA H 1 4.175 0.023 . . . . . A 102 ALA HA . 34112 1 565 . 1 1 63 63 ALA HB1 H 1 1.381 0.012 . . . . . A 102 ALA HB1 . 34112 1 566 . 1 1 63 63 ALA HB2 H 1 1.381 0.012 . . . . . A 102 ALA HB2 . 34112 1 567 . 1 1 63 63 ALA HB3 H 1 1.381 0.012 . . . . . A 102 ALA HB3 . 34112 1 568 . 1 1 63 63 ALA C C 13 177.810 0.000 . . . . . A 102 ALA C . 34112 1 569 . 1 1 63 63 ALA CA C 13 53.402 0.095 . . . . . A 102 ALA CA . 34112 1 570 . 1 1 63 63 ALA CB C 13 18.676 0.105 . . . . . A 102 ALA CB . 34112 1 571 . 1 1 63 63 ALA N N 15 123.298 0.048 . . . . . A 102 ALA N . 34112 1 572 . 1 1 64 64 ASN H H 1 8.759 0.006 . . . . . A 103 ASN H . 34112 1 573 . 1 1 64 64 ASN HA H 1 4.661 0.006 . . . . . A 103 ASN HA . 34112 1 574 . 1 1 64 64 ASN HB2 H 1 2.891 0.000 . . . . . A 103 ASN HB2 . 34112 1 575 . 1 1 64 64 ASN HB3 H 1 2.695 0.000 . . . . . A 103 ASN HB3 . 34112 1 576 . 1 1 64 64 ASN C C 13 174.511 0.000 . . . . . A 103 ASN C . 34112 1 577 . 1 1 64 64 ASN CA C 13 52.692 0.002 . . . . . A 103 ASN CA . 34112 1 578 . 1 1 64 64 ASN CB C 13 38.583 0.046 . . . . . A 103 ASN CB . 34112 1 579 . 1 1 64 64 ASN N N 15 115.815 0.039 . . . . . A 103 ASN N . 34112 1 580 . 1 1 65 65 ARG H H 1 7.782 0.022 . . . . . A 104 ARG H . 34112 1 581 . 1 1 65 65 ARG HA H 1 4.087 0.013 . . . . . A 104 ARG HA . 34112 1 582 . 1 1 65 65 ARG HB2 H 1 1.803 0.002 . . . . . A 104 ARG HB2 . 34112 1 583 . 1 1 65 65 ARG HG2 H 1 1.576 0.012 . . . . . A 104 ARG HG2 . 34112 1 584 . 1 1 65 65 ARG HG3 H 1 1.442 0.001 . . . . . A 104 ARG HG3 . 34112 1 585 . 1 1 65 65 ARG HD2 H 1 3.151 0.016 . . . . . A 104 ARG HD2 . 34112 1 586 . 1 1 65 65 ARG HD3 H 1 3.151 0.016 . . . . . A 104 ARG HD3 . 34112 1 587 . 1 1 65 65 ARG C C 13 176.481 0.000 . . . . . A 104 ARG C . 34112 1 588 . 1 1 65 65 ARG CA C 13 56.717 0.106 . . . . . A 104 ARG CA . 34112 1 589 . 1 1 65 65 ARG CB C 13 30.535 0.067 . . . . . A 104 ARG CB . 34112 1 590 . 1 1 65 65 ARG CG C 13 27.300 0.038 . . . . . A 104 ARG CG . 34112 1 591 . 1 1 65 65 ARG CD C 13 43.714 0.011 . . . . . A 104 ARG CD . 34112 1 592 . 1 1 65 65 ARG N N 15 121.423 0.045 . . . . . A 104 ARG N . 34112 1 593 . 1 1 66 66 LYS H H 1 8.336 0.013 . . . . . A 105 LYS H . 34112 1 594 . 1 1 66 66 LYS HA H 1 4.346 0.028 . . . . . A 105 LYS HA . 34112 1 595 . 1 1 66 66 LYS HB2 H 1 1.864 0.029 . . . . . A 105 LYS HB2 . 34112 1 596 . 1 1 66 66 LYS HB3 H 1 1.701 0.006 . . . . . A 105 LYS HB3 . 34112 1 597 . 1 1 66 66 LYS HG2 H 1 1.488 0.037 . . . . . A 105 LYS HG2 . 34112 1 598 . 1 1 66 66 LYS HG3 H 1 1.498 0.029 . . . . . A 105 LYS HG3 . 34112 1 599 . 1 1 66 66 LYS HD2 H 1 1.661 0.016 . . . . . A 105 LYS HD2 . 34112 1 600 . 1 1 66 66 LYS HE2 H 1 2.968 0.012 . . . . . A 105 LYS HE2 . 34112 1 601 . 1 1 66 66 LYS HE3 H 1 2.969 0.011 . . . . . A 105 LYS HE3 . 34112 1 602 . 1 1 66 66 LYS C C 13 176.131 0.000 . . . . . A 105 LYS C . 34112 1 603 . 1 1 66 66 LYS CA C 13 57.021 0.079 . . . . . A 105 LYS CA . 34112 1 604 . 1 1 66 66 LYS CB C 13 33.988 0.046 . . . . . A 105 LYS CB . 34112 1 605 . 1 1 66 66 LYS CG C 13 24.974 0.109 . . . . . A 105 LYS CG . 34112 1 606 . 1 1 66 66 LYS CD C 13 28.814 0.096 . . . . . A 105 LYS CD . 34112 1 607 . 1 1 66 66 LYS CE C 13 41.944 0.007 . . . . . A 105 LYS CE . 34112 1 608 . 1 1 66 66 LYS N N 15 124.411 0.105 . . . . . A 105 LYS N . 34112 1 609 . 1 1 67 67 VAL H H 1 7.720 0.012 . . . . . A 106 VAL H . 34112 1 610 . 1 1 67 67 VAL HA H 1 4.225 0.011 . . . . . A 106 VAL HA . 34112 1 611 . 1 1 67 67 VAL HB H 1 1.763 0.011 . . . . . A 106 VAL HB . 34112 1 612 . 1 1 67 67 VAL HG11 H 1 0.615 0.010 . . . . . A 106 VAL HG11 . 34112 1 613 . 1 1 67 67 VAL HG12 H 1 0.615 0.010 . . . . . A 106 VAL HG12 . 34112 1 614 . 1 1 67 67 VAL HG13 H 1 0.615 0.010 . . . . . A 106 VAL HG13 . 34112 1 615 . 1 1 67 67 VAL HG21 H 1 0.893 0.023 . . . . . A 106 VAL HG21 . 34112 1 616 . 1 1 67 67 VAL HG22 H 1 0.893 0.023 . . . . . A 106 VAL HG22 . 34112 1 617 . 1 1 67 67 VAL HG23 H 1 0.893 0.023 . . . . . A 106 VAL HG23 . 34112 1 618 . 1 1 67 67 VAL C C 13 174.901 0.000 . . . . . A 106 VAL C . 34112 1 619 . 1 1 67 67 VAL CA C 13 61.124 0.077 . . . . . A 106 VAL CA . 34112 1 620 . 1 1 67 67 VAL CB C 13 32.368 0.074 . . . . . A 106 VAL CB . 34112 1 621 . 1 1 67 67 VAL CG1 C 13 21.277 0.044 . . . . . A 106 VAL CG1 . 34112 1 622 . 1 1 67 67 VAL CG2 C 13 23.649 0.172 . . . . . A 106 VAL CG2 . 34112 1 623 . 1 1 67 67 VAL N N 15 118.938 0.038 . . . . . A 106 VAL N . 34112 1 624 . 1 1 68 68 ASN H H 1 8.997 0.006 . . . . . A 107 ASN H . 34112 1 625 . 1 1 68 68 ASN HA H 1 4.643 0.001 . . . . . A 107 ASN HA . 34112 1 626 . 1 1 68 68 ASN HB2 H 1 2.964 0.006 . . . . . A 107 ASN HB2 . 34112 1 627 . 1 1 68 68 ASN HB3 H 1 2.732 0.003 . . . . . A 107 ASN HB3 . 34112 1 628 . 1 1 68 68 ASN C C 13 174.171 0.000 . . . . . A 107 ASN C . 34112 1 629 . 1 1 68 68 ASN CA C 13 52.978 0.018 . . . . . A 107 ASN CA . 34112 1 630 . 1 1 68 68 ASN CB C 13 39.329 0.057 . . . . . A 107 ASN CB . 34112 1 631 . 1 1 68 68 ASN N N 15 126.898 0.029 . . . . . A 107 ASN N . 34112 1 632 . 1 1 69 69 ASP H H 1 8.596 0.006 . . . . . A 108 ASP H . 34112 1 633 . 1 1 69 69 ASP HA H 1 4.146 0.003 . . . . . A 108 ASP HA . 34112 1 634 . 1 1 69 69 ASP HB2 H 1 2.646 0.012 . . . . . A 108 ASP HB2 . 34112 1 635 . 1 1 69 69 ASP HB3 H 1 2.517 0.006 . . . . . A 108 ASP HB3 . 34112 1 636 . 1 1 69 69 ASP C C 13 181.519 0.000 . . . . . A 108 ASP C . 34112 1 637 . 1 1 69 69 ASP CA C 13 58.361 0.074 . . . . . A 108 ASP CA . 34112 1 638 . 1 1 69 69 ASP CB C 13 41.083 0.039 . . . . . A 108 ASP CB . 34112 1 639 . 1 1 69 69 ASP N N 15 125.496 0.033 . . . . . A 108 ASP N . 34112 1 stop_ save_